| SpectraBase Spectrum ID |
6BSiH1Do8ke |
| Name |
PG O-14:1_17:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Ether-linked phosphatidylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
690.483570855 u |
| Formula |
C37H71O9P |
| InChI |
InChI=1S/C37H71O9P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-37(40)46-36(34-45-47(41,42)44-32-35(39)31-38)33-43-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h10,12,15,17,35-36,38-39H,3-9,11,13-14,16,18-34H2,1-2H3,(H,41,42)/b12-10-,17-15- |
| InChIKey |
GDZJOTSNOJPHCA-XBAVOEEZNA-N |
| Ion Polarity |
N |
| Literature Reference |
Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163. |
| Literature Reference DOI |
https://doi.org/10.1038/s41587-020-0531-2 |
| Precursor Ion |
[M-H]- |
| SMILES |
CCCCCCC\C=C/CCCCCCCC(=O)OC(COCCCCCCCC\C=C/CCCC)COP(O)(=O)OCC(O)CO |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
